N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine

C14H25N3O — CID 66130058

IUPACN-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine
SMILESCCCNC1CCOC(c2cncn2CCC)C1
InChIInChI=1S/C14H25N3O/c1-3-6-16-12-5-8-18-14(9-12)13-10-15-11-17(13)7-4-2/h10-12,14,16H,3-9H2,1-2H3
InChIKeySEUDRUFXLJCFDI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.51
Rot. Bonds6

About N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine

N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine (PubChem CID 66130058) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine
PubChem CID66130058
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine
SMILESCCCNC1CCOC(c2cncn2CCC)C1
InChIInChI=1S/C14H25N3O/c1-3-6-16-12-5-8-18-14(9-12)13-10-15-11-17(13)7-4-2/h10-12,14,16H,3-9H2,1-2H3
InChIKeySEUDRUFXLJCFDI-UHFFFAOYSA-N
XLogP2.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Guanidine, N-cyano-N''-methyl-N'-[[(2R,5R)-tetrahydro-5-(1H-imidazol-5-yl)-2-furanyl]methyl]-, rel-
CID 10106063
Imifuramine
CID 10197870
1-cyano-3-[[(2S,5R)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 10037650
[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10419556
[(2S,5R)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10583206
[(2S,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10678661
1-cyano-3-[[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 11086114
2-(1-methyl-1H-imidazol-4-yl)morpholine
CID 82597427
1-cyano-3-[[(2S,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 10879463
2-(1-methyl-1H-imidazol-5-yl)oxan-4-amine dihydrochloride
CID 91643431
1-Cyano-2-{[5-(1H-imidazol-4-yl)tetrahydro-2-furanyl]methyl}-3-methylguanidine
CID 49824228
[2-Amino-1-(1-ethylimidazol-4-yl)butyl] 2,2,2-trifluoroacetate
CID 174445304

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
The IUPAC name of N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine (CID 66130058) is N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine is CCCNC1CCOC(c2cncn2CCC)C1.
What is the InChIKey of N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
The InChIKey is SEUDRUFXLJCFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-6-16-12-5-8-18-14(9-12)13-10-15-11-17(13)7-4-2/h10-12,14,16H,3-9H2,1-2H3.
What are the key properties of N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine has a molecular weight of 251.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(3-propylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 66130058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).